General Information of the Compound
| Compound ID |
CP0521707
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266876, 34
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22FN7O2S
|
||||||||||||||||||
| Molecular Weight |
491.552
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2ccccc2n(CC(=O)N2CCN(CC2)c2scnc2-c2nc3ccc(F)cc3[nH]2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22FN7O2S/c1-29-18-4-2-3-5-19(18)32(24(29)34)13-20(33)30-8-10-31(11-9-30)23-21(26-14-35-23)22-27-16-7-6-15(25)12-17(16)28-22/h2-7,12,14H,8-11,13H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FCNACKBPZZDCHI-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound